BDBM15581 CHEMBL8706::CLG::CLORGILINE::Clorgyline::N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-prop-2-yn-1-amine::US8633208, Clorgyline::US9603833, Clorgyline::[3-(2,4-dichlorophenoxy)propyl](methyl)prop-2-yn-1-ylamine

SMILES C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C

InChI Key InChIKey=BTFHLQRNAMSNLC-UHFFFAOYSA-N

Data  19 KI  215 IC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 15581   

TargetAmine oxidase [flavin-containing] A(Human)
University of Porto

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 0.00400nMAssay Description:Inhibition of human MAO-A using p-tyramine as substrate incubated for 15 mins by Amplex red and horseradish peroxidase based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
University of Porto

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 3nMAssay Description:Inhibition of human MAO-A using kynuramine as substrate incubated for 30 mins by spectrophotometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
University of Porto

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of human microsomal MAO-A expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
University of Porto

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 63nMAssay Description:Inhibition of human MAO-B using p-tyramine as substrate incubated for 15 mins by Amplex red and horseradish peroxidase based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Porto

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 2.21E+3nMAssay Description:Inhibition of human MAO-B using kynuramine as substrate incubated for 30 mins by spectrophotometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Porto

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.34E+4nMAssay Description:Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed